e-Drug3D

1879

BICTEGRAVIR

INN
BICTEGRAVIR

cas 1611493-60-7

CLASS

ANTIINFECTIVES
HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1) INTEGRASE STRAND TRANSFER INHIBITOR (INSTI)
TREATMENT OF HIV-1 INFECTION

ROUTE (list)

ORAL

ATC code

J05AR20

PK parameters

Tmax 3 HOUR
PPB 99 PERCENT
t1/2 17.3 HOUR

Solubility

0.1 MILLIGRAM PER MILLILITER IN WATER

Target

TARGET INTEGRASE STRAND TRANSFER

PDB
6PUW (STRUCTURE OF HIV CLEAVED SYNAPTIC COMPLEX (CSC) INTASOME BOUND WITH MAGNESIUM AND BICTEGRAVIR (BIC))

Ligand code = KLQ (link to the list of PDB complexes)

Download experimental 3D coordinates of KLQ with added hydrogens

DrugCentral

Integrase UNIPROT Q7ZJM1 pol

Download SDF file

2,5-Methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide, 2,3,4,5,7,9,13,13a-octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-, (2R,5S,13aR)-

Formula:
C21H18F3N3O5

Calculated chemical properties:

MW 449.38
NB_atoms 32
XLogP 1.63
PSA 91.733
NB_HD 2
NB_HA 8
fsp3 0.38
Lipinski(0=no;1=yes) 1

FDA
NDA 210251 (pdf not found) INN (BICTEGRAVIR SODIUM ; EMTRICITABINE ; TENOFOVIR ALAFENAMIDE FUMARATE) BIKTARVY (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2018
NDA 216914 (pdf not found) INN (BICTEGRAVIR ; EMTRICITABINE ; TENOFOVIR ALAFENAMIDE) BICTEGRAVIR, EMTRICITABINE AND TENOFOVIR ALAFENAMIDE (CIPLA LTD) APPROVAL= TA YEAR= 2025